2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C19H23ClN4+2 MolecularWeight: 342.86572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H21ClN4/c1-14-11-15(2)22-19(18(14)12-21)24-9-7-23(8-10-24)13-16-3-5-17(20)6-4-16/h3-6,11H,7-10,13H2,1-2H3/p+2